(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one

C15H26O3 — CID 102066677

IUPAC(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one
SMILESC/C1=C\[C@@H](O)C[C@H](C)C(=O)C[C@@H](C(C)C)[C@@H](O)C1
InChIInChI=1S/C15H26O3/c1-9(2)13-8-14(17)11(4)7-12(16)5-10(3)6-15(13)18/h5,9,11-13,15-16,18H,6-8H2,1-4H3/b10-5+/t11-,12+,13-,15-/m0/s1
InChIKeyGXWMCJKALWREHJ-SZDLVHABSA-N
MW254.37 g/mol
LogP2.32
Rot. Bonds1

About (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one

(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one (PubChem CID 102066677) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one.

Molecular Properties

Compound Name(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one
PubChem CID102066677
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one
SMILESC/C1=C\[C@@H](O)C[C@H](C)C(=O)C[C@@H](C(C)C)[C@@H](O)C1
InChIInChI=1S/C15H26O3/c1-9(2)13-8-14(17)11(4)7-12(16)5-10(3)6-15(13)18/h5,9,11-13,15-16,18H,6-8H2,1-4H3/b10-5+/t11-,12+,13-,15-/m0/s1
InChIKeyGXWMCJKALWREHJ-SZDLVHABSA-N
XLogP2.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R,5R)-4,5-dihydroxy-2-methylcyclohexan-1-one
CID 131160826
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-diene-1,5-diol
CID 75051828
(3Z,5E,7S,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-3,5-dien-1-ol
CID 68519760
4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 525916
4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 75089010
(1R,3R,9R,14R)-9-hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-6,10-dien-4-one
CID 162865179
(10E)-4,8-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5384308
2-methyl-5-propan-2-ylcyclohexane-1,4-dione
CID 71343306
(3R,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 24836956
(3S,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 14106072
(3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 6441391

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one?
The IUPAC name of (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one (CID 102066677) is (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one.
What is the SMILES notation for (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one?
The canonical SMILES for (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one is C/C1=C\[C@@H](O)C[C@H](C)C(=O)C[C@@H](C(C)C)[C@@H](O)C1.
What is the InChIKey of (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one?
The InChIKey is GXWMCJKALWREHJ-SZDLVHABSA-N. The full InChI is InChI=1S/C15H26O3/c1-9(2)13-8-14(17)11(4)7-12(16)5-10(3)6-15(13)18/h5,9,11-13,15-16,18H,6-8H2,1-4H3/b10-5+/t11-,12+,13-,15-/m0/s1.
What are the key properties of (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one?
(2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one has a molecular weight of 254.37 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5E,8S,9S)-4,8-dihydroxy-2,6-dimethyl-9-propan-2-ylcyclodec-5-en-1-one is sourced from PubChem (CID 102066677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).